SCHEMBL6840416

SCHEMBL6840416

CC(=O)NC(CCC(=O)O)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 2/20 0.51
FOLH1 Q04609 6/20 0.48
NAALAD2 Q9Y3Q0 2/20 0.48
RIMKLA Q8IXN7 1/20 0.48
HPGDS O60760 1/20 0.44
GNPAT O15228 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
PTGS2 P35354 1/20 0.44
THPO P40225 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6840688 1.00 SIRT5 (0.51) SIRT5FOLH1NAALAD2RIMKLAHPGDS
SCHEMBL30944837 0.98 SIRT5 (0.50) SIRT5FOLH1NAALAD2RIMKLAHPGDS
SCHEMBL17951006 0.93 SIRT5 (0.60) SIRT5FOLH1NAALAD2RIMKLAHPGDS
SCHEMBL17951005 0.88 SIRT5 (0.53) SIRT5FOLH1NAALAD2RIMKLAHPGDS
SCHEMBL6519720 0.88 SIRT5 (0.56) SIRT5FOLH1NAALAD2RIMKLAHPGDS
SCHEMBL14557465 0.88 FOLH1 (0.52) FOLH1NAALAD2RIMKLAGNPATKDM4E
SCHEMBL17718255 0.88 FOLH1 (0.52) FOLH1NAALAD2RIMKLAGNPATKDM4E
SCHEMBL11596384 0.86 NOD2 (0.49) SIRT5FOLH1NAALAD2RIMKLAHPGDS
SCHEMBL24158322 0.86 SIRT5 (0.43) SIRT5GNPATKDM4EMAPTTHRB
SCHEMBL29150369 0.84 GNPAT (0.53) SIRT5FOLH1NAALAD2RIMKLAGNPAT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012430-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-10 US disclosed
US-8314141-B2 Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-20 US disclosed
US-20090143312-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-04 US disclosed
US-7388017-B2 Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-17 US disclosed
US-6765096-B1 ANTIALLERGIC AGENT, IMMUNOSUPPRESSANT SHIONOGI & CO., LTD. (JP) 2004-07-20 US disclosed
CN-1361766-A Tricyclic compounds having acyloxymethoxycarbonyl side chain SHIONOGI PHARMACEUTICAL & CO L (JP) 2002-07-31 CN disclosed
EP-1219606-A1 TRICYCLIC COMPOUNDS BEARING ACYLOXYMETHOXYCARBONYL PENDANTS SHIONOGI & CO., LTD. (JP) 2002-07-03 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090143312-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE HPN, PRSS1, PRSS3 SIRT5 2977/4885FOLH1 1607/4885NAALAD2 244/4885
US-20130012430-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE HPN, PRSS1, PRSS3 SIRT5 2977/4885FOLH1 1607/4885NAALAD2 244/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.